2-[(3-fluorophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-4-one Formula: C28H27FN4O2S MolecularWeight: 502.602983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

InChI

InChI=1S/C28H27FN4O2S/c29-22-8-6-7-21(19-22)20-36-28-30-25-12-5-4-11-24(25)27(35)33(28)14-13-26(34)32-17-15-31(16-18-32)23-9-2-1-3-10-23/h1-12,19H,13-18,20H2